magnesium bis(benzyl-[(1R)-1-phenylethyl]azanide)

C30H32MgN2 — CID 10895557

IUPACmagnesium bis(benzyl-[(1R)-1-phenylethyl]azanide)
SMILESC[C@@H]([N-]Cc1ccccc1)c1ccccc1.C[C@@H]([N-]Cc1ccccc1)c1ccccc1.[Mg+2]
InChIInChI=1S/2C15H16N.Mg/c2*1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;/h2*2-11,13H,12H2,1H3;/q2*-1;+2/t2*13-;/m11./s1
InChIKeyJRVYRLMIIQZOSA-WFEKIRLUSA-N
MW444.91 g/mol
LogP8.26
Rot. Bonds8

About magnesium bis(benzyl-[(1R)-1-phenylethyl]azanide)

magnesium bis(benzyl-[(1R)-1-phenylethyl]azanide) (PubChem CID 10895557) has the molecular formula C30H32MgN2 and a molecular weight of 444.91 g/mol. Its IUPAC name is magnesium bis(benzyl-[(1R)-1-phenylethyl]azanide).

Molecular Properties

Compound Namemagnesium bis(benzyl-[(1R)-1-phenylethyl]azanide)
PubChem CID10895557
Molecular FormulaC30H32MgN2
Molecular Weight444.91 g/mol
Exact Mass444.24
IUPAC Namemagnesium bis(benzyl-[(1R)-1-phenylethyl]azanide)
SMILESC[C@@H]([N-]Cc1ccccc1)c1ccccc1.C[C@@H]([N-]Cc1ccccc1)c1ccccc1.[Mg+2]
InChIInChI=1S/2C15H16N.Mg/c2*1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;/h2*2-11,13H,12H2,1H3;/q2*-1;+2/t2*13-;/m11./s1
InChIKeyJRVYRLMIIQZOSA-WFEKIRLUSA-N
XLogP8.26
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.91
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze magnesium bis(benzyl-[(1R)-1-phenylethyl]azanide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium [(1S)-1-phenylethyl]-prop-2-enylazanide
CID 10899068
sodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide
CID 132513762
dilithium;bis[(1R)-1-phenylethyl]azanide;bromide
CID 135082056
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
phenylmethanamine;1-phenylpropylbenzene
CID 19985231
lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide
CID 102301951
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
1-benzyl-1-[(1S)-1-phenylethyl]hydrazine
CID 101079144
cumene;ethylbenzene;methane
CID 159529846
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
ethanamine;1-phenylethylbenzene
CID 19985218
1-(3-benzylphenyl)ethanamine
CID 69109207

Frequently Asked Questions

What is the IUPAC name of magnesium bis(benzyl-[(1R)-1-phenylethyl]azanide)?
The IUPAC name of magnesium bis(benzyl-[(1R)-1-phenylethyl]azanide) (CID 10895557) is magnesium bis(benzyl-[(1R)-1-phenylethyl]azanide).
What is the SMILES notation for magnesium bis(benzyl-[(1R)-1-phenylethyl]azanide)?
The canonical SMILES for magnesium bis(benzyl-[(1R)-1-phenylethyl]azanide) is C[C@@H]([N-]Cc1ccccc1)c1ccccc1.C[C@@H]([N-]Cc1ccccc1)c1ccccc1.[Mg+2].
What is the InChIKey of magnesium bis(benzyl-[(1R)-1-phenylethyl]azanide)?
The InChIKey is JRVYRLMIIQZOSA-WFEKIRLUSA-N. The full InChI is InChI=1S/2C15H16N.Mg/c2*1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;/h2*2-11,13H,12H2,1H3;/q2*-1;+2/t2*13-;/m11./s1.
What are the key properties of magnesium bis(benzyl-[(1R)-1-phenylethyl]azanide)?
magnesium bis(benzyl-[(1R)-1-phenylethyl]azanide) has a molecular weight of 444.91 g/mol, XLogP of 8.26, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(benzyl-[(1R)-1-phenylethyl]azanide) is sourced from PubChem (CID 10895557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).